[3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone

C14H19NO2S — CID 107229128

IUPAC[3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
SMILESO=C(c1ccccc1S)N1CCCC(CCO)C1
InChIInChI=1S/C14H19NO2S/c16-9-7-11-4-3-8-15(10-11)14(17)12-5-1-2-6-13(12)18/h1-2,5-6,11,16,18H,3-4,7-10H2
InChIKeyLFXNQFFQHRUATN-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.21
Rot. Bonds3

About [3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone

[3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone (PubChem CID 107229128) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
PubChem CID107229128
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name[3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
SMILESO=C(c1ccccc1S)N1CCCC(CCO)C1
InChIInChI=1S/C14H19NO2S/c16-9-7-11-4-3-8-15(10-11)14(17)12-5-1-2-6-13(12)18/h1-2,5-6,11,16,18H,3-4,7-10H2
InChIKeyLFXNQFFQHRUATN-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-2-sulfanylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107229127
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371472
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
(2,6-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103855483
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-phenyl-2-sulfanylpropan-1-one
CID 107229139
(2,4-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 55209548
(2,4-dimethylphenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62373006
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
(5-chloro-2-fluorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372699
[3-(2-hydroxyethyl)piperidin-1-yl]-[2-(2-phenylethylsulfanyl)-3-pyridinyl]methanone
CID 24964973
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-sulfanylphenyl)methanone
CID 107032362

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone?
The IUPAC name of [3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone (CID 107229128) is [3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone?
The canonical SMILES for [3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone is O=C(c1ccccc1S)N1CCCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone?
The InChIKey is LFXNQFFQHRUATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-9-7-11-4-3-8-15(10-11)14(17)12-5-1-2-6-13(12)18/h1-2,5-6,11,16,18H,3-4,7-10H2.
What are the key properties of [3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone?
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone has a molecular weight of 265.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone is sourced from PubChem (CID 107229128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).